10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C40H24N2O — CID 88858424

IUPAC10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/C40H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35/h1-24H
InChIKeyGASBLXHTDPDRMA-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88858424) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88858424
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1
InChIInChI=1S/C40H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35/h1-24H
InChIKeyGASBLXHTDPDRMA-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575296
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 88858424) is 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)c1.
What is the InChIKey of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is GASBLXHTDPDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-14-33-31(12-1)36-24-28(18-19-34(36)39-38(33)41-20-21-42-39)26-9-5-8-25(22-26)27-10-6-11-29(23-27)30-15-7-16-35-32-13-3-4-17-37(32)43-40(30)35/h1-24H.
What are the key properties of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88858424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).